MMs01782928 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 -1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9936 -1.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 1.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2444 -1.3340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8444 -0.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4889 -2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2334 -3.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7334 -3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 -5.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7444 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4889 -2.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9999 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7444 -1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2444 -1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 -0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2554 1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7554 1.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0109 2.5471 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.4999 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2443 -1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4888 -2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2333 -3.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9888 -2.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7443 -1.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2554 1.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -2.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 2.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1043 1.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5729 -1.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5664 -3.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 -4.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7283 -5.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9334 -3.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 -2.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4412 -4.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8735 -6.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5146 -5.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 -2.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8598 2.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7392 -2.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9443 -1.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7494 -0.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2920 0.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8598 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2187 1.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M END